1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine

C16H22N2 — CID 81220852

IUPAC1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2/c1-4-10-17-15(5-2)13-8-9-16-14(11-13)7-6-12(3)18-16/h6-9,11,15,17H,4-5,10H2,1-3H3
InChIKeyNRCCBMSHNCVFQY-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine

1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine (PubChem CID 81220852) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
PubChem CID81220852
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2/c1-4-10-17-15(5-2)13-8-9-16-14(11-13)7-6-12(3)18-16/h6-9,11,15,17H,4-5,10H2,1-3H3
InChIKeyNRCCBMSHNCVFQY-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105172233
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
CID 105379694
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
CID 81232115

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine (CID 81220852) is 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
The InChIKey is NRCCBMSHNCVFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-10-17-15(5-2)13-8-9-16-14(11-13)7-6-12(3)18-16/h6-9,11,15,17H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 81220852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).